4-{5-[2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
4-{5-[2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 3681-3913 |
| Compound Name: | 4-{5-[2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid |
| Molecular Weight: | 433.38 |
| Molecular Formula: | C22 H15 N3 O7 |
| Smiles: | COc1ccc(cc1NC(C(=C\c1ccc(c2ccc(cc2)C(O)=O)o1)\C#N)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3752 |
| logD: | 0.6474 |
| logSw: | -4.4027 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.678 |
| InChI Key: | DBGFCEIIUZOONS-UHFFFAOYSA-N |